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NWChem: New Functionality.

, , , , , , , and . International Conference on Computational Science, volume 2660 of Lecture Notes in Computer Science, page 168-180. Springer, (2003)

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On eliminating synchronous communication in molecular simulations to improve scalability., and . Comput. Phys. Commun., 184 (12): 2634-2640 (2013)Low-Order Finite Element Solver with Small Matrix-Matrix Multiplication Accelerated by AI-Specific Hardware for Crustal Deformation Computation., , , , , , , , , and . PASC, page 16:1-16:11. ACM, (2020)Load balancing of molecular dynamics simulation with NWChem., and . IBM Syst. J., 40 (2): 328-341 (2001)NWChem., , , , , , and . Encyclopedia of Parallel Computing, Springer, (2011)NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations., , , , , , , , , and 1 other author(s). Comput. Phys. Commun., 181 (9): 1477-1489 (2010)A Multiprotocol Communication Support for the Global Address Space Programming Model on the IBM SP., , and . Euro-Par, volume 1900 of Lecture Notes in Computer Science, page 718-728. Springer, (2000)NWChem: New Functionality., , , , , , , and . International Conference on Computational Science, volume 2660 of Lecture Notes in Computer Science, page 168-180. Springer, (2003)DCPM Introduction., , and . IPDPS Workshops, page 2007. IEEE, (2011)Northwest Trajectory Analysis Capability: A Platform for Enhancing Biophysics Analysis., , , , , , , , , and 1 other author(s). BIOCOMP, page 558-562. CSREA Press, (2008)Pre-exascale accelerated application development: The ORNL Summit experience., , , , , , , , , and 16 other author(s). IBM J. Res. Dev., 64 (3/4): 11:1-11:21 (2020)